1-(3-bromofuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine

C14H22BrNO2 — CID 115861250

IUPAC1-(3-bromofuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)c1occc1Br
InChIInChI=1S/C14H22BrNO2/c1-2-8-16-13(14-12(15)7-10-18-14)6-5-11-4-3-9-17-11/h7,10-11,13,16H,2-6,8-9H2,1H3
InChIKeyFVXVCQDNXYKRKZ-UHFFFAOYSA-N
MW316.24 g/mol
LogP4.04
Rot. Bonds7

About 1-(3-bromofuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine

1-(3-bromofuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine (PubChem CID 115861250) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
PubChem CID115861250
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name1-(3-bromofuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)c1occc1Br
InChIInChI=1S/C14H22BrNO2/c1-2-8-16-13(14-12(15)7-10-18-14)6-5-11-4-3-9-17-11/h7,10-11,13,16H,2-6,8-9H2,1H3
InChIKeyFVXVCQDNXYKRKZ-UHFFFAOYSA-N
XLogP4.04
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromofuran-2-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 115861332
1-(furan-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156343
1-(3-bromo-4-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993778
1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 63943419
3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 65166768
1-(3-bromo-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156181
1-(5-methylfuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156495
1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156280
1-(5-bromothiophen-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105156974
3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine
CID 65156384
3-(oxolan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 115855107
1-(3-bromofuran-2-yl)-3-(oxan-2-yl)propan-1-ol
CID 115800610

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(3-bromofuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine (CID 115861250) is 1-(3-bromofuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine is CCCNC(CCC1CCCO1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The InChIKey is FVXVCQDNXYKRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-2-8-16-13(14-12(15)7-10-18-14)6-5-11-4-3-9-17-11/h7,10-11,13,16H,2-6,8-9H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
1-(3-bromofuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine has a molecular weight of 316.24 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 115861250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).